Geometry & MOs

Info

ID:	448874
PubChem CID:	135294194
Reduced:	NPO3C13H28 (1)
Stoich.:	ABC3D13E28 (1)
Weight, g/mol:	601.328073
ΔH_f, kcal/mol:	-196.45
Dipole, Da:	1.45
IP(EA), eV:	-8.2(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[3-[[3,6-bis(dimethylamino)-9H-xanthen-9-yl]-methoxyphosphoryl]propanoyl-methylamino]hexanoate

Drug info:

PubChemData

Smile

CCN(CC)C(C)(C(C)CC=C)P(=O)(OC)OC

DOS

IR

Vibrations